7-Phenylheptanoic acid
7-Phenylheptanoic acid structure
|
Common Name | 7-Phenylheptanoic acid | ||
|---|---|---|---|---|
| CAS Number | 40228-90-8 | Molecular Weight | 206.281 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 356.5±21.0 °C at 760 mmHg | |
| Molecular Formula | C13H18O2 | Melting Point | 20°C | |
| MSDS | USA | Flash Point | 253.5±17.2 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 7-Phenylheptanoic Acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 356.5±21.0 °C at 760 mmHg |
| Melting Point | 20°C |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.281 |
| Flash Point | 253.5±17.2 °C |
| Exact Mass | 206.130676 |
| PSA | 37.30000 |
| LogP | 3.76 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.519 |
| InChIKey | ZVSXKFNTWOIGJI-UHFFFAOYSA-N |
| SMILES | O=C(O)CCCCCCc1ccccc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
|---|---|
| Risk Phrases | R36/38 |
| Safety Phrases | S26-S36 |
| HS Code | 2916399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Permeability across PAMPA membrane after 7 hrs
Source: ChEMBL
Target: N/A
External Id: CHEMBL925053
|
|
Name: Partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL925051
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 7-Phenylheptanoic acid |
| Benzeneheptanoic acid |
| MFCD00037801 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 7-Phenylheptanoic Acid? |
| A: Boiling point of 7-Phenylheptanoic Acid is 356.5±21.0 °C at 760 mmHg. |
| Q: What is the melting point of 7-Phenylheptanoic Acid? |
| A: Melting point of 7-Phenylheptanoic Acid is 20°C. |
| Q: What is the InChIKey of 7-Phenylheptanoic Acid? |
| A: InChIKey of 7-Phenylheptanoic Acid is ZVSXKFNTWOIGJI-UHFFFAOYSA-N. |
| Q: What is the LogP of 7-Phenylheptanoic Acid? |
| A: LogP of 7-Phenylheptanoic Acid is 3.76. |
| Q: What is the SMILES notation of 7-Phenylheptanoic Acid? |
| A: SMILES notation of 7-Phenylheptanoic Acid is O=C(O)CCCCCCc1ccccc1. |
| Q: What is the safety information for 7-Phenylheptanoic Acid? |
| A: Safety information for 7-Phenylheptanoic Acid: S26-S36. |
| Q: What English synonyms does 7-Phenylheptanoic Acid have? |
| A: English synonyms of 7-Phenylheptanoic Acid: 7-Phenylheptanoic acid, Benzeneheptanoic acid, MFCD00037801. |
| Q: What is the CAS number of 7-Phenylheptanoic Acid? |
| A: CAS number of 7-Phenylheptanoic Acid is 40228-90-8. |
| Q: What is the English name of 7-Phenylheptanoic Acid? |
| A: The English name of 7-Phenylheptanoic Acid is 7-Phenylheptanoic Acid. |
| Q: What is the polar surface area (PSA) of 7-Phenylheptanoic Acid? |
| A: Polar surface area (PSA) of 7-Phenylheptanoic Acid is 37.30000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |